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add templates dir with .tex file of commonly used equations #47

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46 changes: 46 additions & 0 deletions templates/writing-tools/equations.tex
Original file line number Diff line number Diff line change
@@ -0,0 +1,46 @@
%% General Equations
%Newtonian F=ma
\newcommand{\fma}{
\begin{equation}\label{eq:fma}
F = ma
\end{equation}
}

%Force derived from energy
\newcommand{\forceenergy}{
\begin{equation}\label{eq:force-energy}
F = \dfrac{-dV}{dx}
\end{equation}
}

%% MD Functional Forces
% Lennard Jones 12-6
\newcommand{\pairljeq}{
\begin{equation}\label{eq:pairlj}
V_{LJ}(r) = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right]
\end{equation}
}
% Harmonic bond stretching
\newcommand{\bondharmoniceq}{
\begin{equation}\label{eq:bond-harmonic}
V_{bond}(l) = \frac{1}{2}k\left(l-l_0\right)^2
\end{equation}
}
% Harmonic bond bending
\newcommand{\angleharmoniceq}{
\begin{equation}\label{eq:angle-harmonic}
V_{angle}(\theta) = \frac{1}{2}k\left(\theta-\theta_0\right)^2
\end{equation}
}
% Dihedrals (Periodic)
\newcommand{\dihedralperiodiceq}{
\begin{equation}\label{eq:dihedral-periodic}
V_{torsion}(\phi) = \frac{1}{2}k(1+d\cos{(n\phi - \phi_0)})
\end{equation}
}
% Dihedrals (OPLS)
\newcommand{\dihedraloplseq}{
\begin{equation}\label{eq:dihedral-opls}
V_{torsion}(\phi) = \frac{1}{2}\left[k_1\left(1+\cos{\phi})+k_2(1-\cos{2\phi})+k_3(1+\cos{3\phi})+k_4(1-\cos{4\phi})\right)\right]
\end{equation}
}
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Binary file added templates/writing-tools/figures/lj-potential.png
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142 changes: 142 additions & 0 deletions templates/writing-tools/figures/make-figs.ipynb

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